N-[3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]propyl]-4-nitro-benzamide Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c1-33(31,32)18-6-3-2-5-17(18)21(28)24-14-4-13-23(24)19(26)11-12-22-20(27)15-7-9-16(10-8-15)25(29)30/h2-3,5-10H,4,11-14H2,1H3,(H,22,27)